5-(2,2-difluoroethyl)-2H-pyrrole

C6H7F2N — CID 142793317

IUPAC5-(2,2-difluoroethyl)-2H-pyrrole
SMILESFC(F)CC1=NCC=C1
InChIInChI=1S/C6H7F2N/c7-6(8)4-5-2-1-3-9-5/h1-2,6H,3-4H2
InChIKeyIMGQOBPZJBNUIV-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.65
Rot. Bonds2

About 5-(2,2-difluoroethyl)-2H-pyrrole

5-(2,2-difluoroethyl)-2H-pyrrole (PubChem CID 142793317) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-2H-pyrrole.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-2H-pyrrole
PubChem CID142793317
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name5-(2,2-difluoroethyl)-2H-pyrrole
SMILESFC(F)CC1=NCC=C1
InChIInChI=1S/C6H7F2N/c7-6(8)4-5-2-1-3-9-5/h1-2,6H,3-4H2
InChIKeyIMGQOBPZJBNUIV-UHFFFAOYSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(trifluoromethyl)-2H-pyrrole
CID 58924994
2-(trifluoromethyl)-2H-pyrrole
CID 67621404
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
2-methyl-5-(trifluoromethyl)-2H-pyrrole
CID 147083581
6-(Trifluoromethyl)-2,3-dihydropyridine
CID 153700013
5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole
CID 157205584
3-Fluoro-6-(trifluoromethyl)-2,3-dihydropyridine
CID 168920428
5-(difluoromethyl)-2H-pyrrole
CID 174763302
(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole
CID 101378278
(Z)-N-ethyl-1,1-difluoropent-3-en-2-imine
CID 143619240
(Z)-2,2-difluoro-N-methylhex-4-en-3-imine
CID 144510685
5-(1,1-difluoroethyl)-2H-pyrrole
CID 145200832

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-2H-pyrrole?
The IUPAC name of 5-(2,2-difluoroethyl)-2H-pyrrole (CID 142793317) is 5-(2,2-difluoroethyl)-2H-pyrrole.
What is the SMILES notation for 5-(2,2-difluoroethyl)-2H-pyrrole?
The canonical SMILES for 5-(2,2-difluoroethyl)-2H-pyrrole is FC(F)CC1=NCC=C1.
What is the InChIKey of 5-(2,2-difluoroethyl)-2H-pyrrole?
The InChIKey is IMGQOBPZJBNUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c7-6(8)4-5-2-1-3-9-5/h1-2,6H,3-4H2.
What are the key properties of 5-(2,2-difluoroethyl)-2H-pyrrole?
5-(2,2-difluoroethyl)-2H-pyrrole has a molecular weight of 131.12 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-2H-pyrrole is sourced from PubChem (CID 142793317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).